Re: [gmx-users] Need Help on Simulated annealing (Implicit Solvation)

2013-01-24 Thread Justin Lemkul
On 1/24/13 10:26 AM, Raghuvir R. S. Pissurlenkar wrote: Hi I have tried to write a grompp.mdp file for simulated annealing of a peptide (~30 aa) in implicit solvent. Please someone could tell me if the parameters set are fine for the same.

[gmx-users] Need Help on Simulated annealing (Implicit Solvation)

2013-01-24 Thread Raghuvir R. S. Pissurlenkar
Hi I have tried to write a grompp.mdp file for simulated annealing of a peptide (~30 aa) in implicit solvent. Please someone could tell me if the parameters set are fine for the same. - ; Preprocessing define = -DFLE